Geometry & MOs

Info

ID:	158692
PubChem CID:	56464920
Reduced:	SN3O4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	447.172896
ΔH_f, kcal/mol:	-99.57
Dipole, Da:	5.72
IP(EA), eV:	-8.32(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C)N(C)C3CC3

DOS

IR

Vibrations